3,4-dimethoxyphthal...

3,4-dimethoxyphthalic acid 518-90-1

3,4-dimethoxyphthalic acid 518-90-1

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

1,2-Benzenedicarboxylicacid, 3,4-dimethoxy- 3,4-dimethoxyphthalic acid 518-90-1

Quick Details

  • Appearance:Liquid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
1,2-Benzenedicarboxylicacid, 3,4-dimethoxy-
【Iupac name】
3,4-dimethoxyphthalic acid
【CAS Registry number】
518-90-1
【Synonyms】
Phthalic acid,3,4-dimethoxy- (6CI,7CI,8CI)
3,4-Dimethoxy-1,2-benzenedicarboxylic acid
3,4-Dimethoxyphthalic acid
Hemipic acid
Hemipinic acid
NSC 134534
【EINECS(EC#)】
208-259-3
【Molecular Formula】
C10H10 O6 (Products with the same molecular formula)
【Molecular Weight】
226.1828
【Inchi】
InChI=1/C10H10O6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4H,1-2H3,(H,11,12)(H,13,14)
【Canonical SMILES】
COC1=C(C(=C(C=C1)C(=O)O)C(=O)O)OC
【MOL File】
518-90-1.mol
Chemical and Physical Properties
【Density】
1.391g/cm3
【Boiling Point】
396.2°Cat760mmHg
【Refractive Index】
1.572
【Flash Point】
157.8°C
【Computed Properties】
Molecular Weight:226.1828 [g/mol]
Molecular Formula:C10H10O6
XLogP3-AA:0.9
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:4
Exact Mass:226.047738
MonoIsotopic Mass:226.047738
Topological Polar Surface Area:93.1
Heavy Atom Count:16
Formal Charge:0
Complexity:277
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Anion Count:2
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:7

 

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